文献类型：期刊文献

英文题名：Energy-Level Control via Molecular Planarization and Its Effect on Interfacial Charge-Transfer Processes in Dye-Sensitized Solar Cells

作者：Liu, Yifan[1,4];Zhang, Xiaomin[1];Li, Chen[2,3];Tian, Yuqi[1];Zhang, Fengyu[1];Wang, Yajun[1];Wu, Wenjun[2,3];Liu, Bo[1]

机构：[1]Hebei Normal Univ, Coll Chem & Mat Sci, Hebei Key Lab Organ Funct Mol, 20,East Rd Nan Er Huan, Shijiazhuang 050023, Hebei, Peoples R China;[2]East China Univ Sci & Technol, Key Lab Adv Mat, Sch Chem & Mol Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Inst Fine Chem, Sch Chem & Mol Engn, Shanghai Key Lab Funct Mat Chem, 130 Meilong Rd, Shanghai 200237, Peoples R China;[4]Hebei Med Univ, Sch Pharm, Shijiazhuang 050017, Hebei, Peoples R China

年份：2019

卷号：123

期号：22

起止页码：13531

外文期刊名：JOURNAL OF PHYSICAL CHEMISTRY C

收录：;EI(收录号：20192307000573);WOS:【SCI-EXPANDED(收录号:WOS:000470938400018)】；

基金：This work was financially supported by NSFC (21576070, 21676087), Excellent Young Scientist Foundation of NSF/Hebei (B2016205075), the Scientific Committee of Shanghai (18160723400), the Science Foundation of Hebei Normal University for Distinguished Young Scholars (L2017J03), and the Program for the Young Talent of Hebei Province.

语种：英文

外文关键词：Polycyclic aromatic hydrocarbons - Charge transfer - Dye-sensitized solar cells - Molecular orbitals

摘要：As the critical property of the organic dye, the energy level determines the thermodynamic possibilities and the efficiencies of multiple interfacial charge-transfer processes in dye-sensitized solar cells. Thus, a suitable energy level is highly required, and selective energy control becomes a quite important and systemic objective. Herein, a novel planar carbazole unit, which is synthesized through simple aryl immobilization, is applied as the donor segment in the D-A-pi-A organic dye. The considerable dihedral angle between benzene and carbazole is almost eliminated, thus resulting in effective improvement of molecular planarity. As the planarity of donor segment enhances, the highest occupied molecular orbital level of the dye increases, whereas its lowest unoccupied molecular orbital level remains around the same value, with respect to the twisted dye. Besides, with good molecular planarity, the interfacial charge-transfer processes, including charge injection, charge recombination, and dye regeneration, are efficiently improved. Consequently, the optimization of molecular planarity can selectively control the energy level of the dye, while multiple interfacial charge-transfer processes can also be finely optimized, providing a reasonable strategy to develop an efficient organic sensitizer with long-term photostability.